SCHEMBL1853028

SCHEMBL1853028

Nc1ccc(-c2cc3ccccn3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
RAB9A P51151 5/20 0.62
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 3/20 0.62
KDM4E B2RXH2 3/20 0.62
POLB P06746 2/20 0.62
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HRH3 Q9Y5N1 4/20 0.47
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.41
ALOX15 P16050 2/20 0.40
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL942764 0.84 ALDH1A1 (0.65) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL1645736 0.81 NPC1 (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL873426 0.81 ALDH1A1 (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL28658650 0.81 NPC1 (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL3894978 0.81 ALDH1A1 (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL1849445 0.81 RAB9A (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL29089761 0.81 ALDH1A1 (0.62) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL27923079 0.81 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL2010685 0.78 ALOX15 (0.48) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1
Dimethylamine SCHEMBL7169891 0.78 ALDH1A1 (0.57) ALDH1A1RAB9AMAPTSMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
US-8420052-B2 Imaging agents useful for identifying AD pathology SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-04-16 US disclosed
EP-2323697-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY Siemens Medical Solutions USA, Inc. (US) 2011-05-25 EP disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology SIEMENS MEDICAL SOLUTIONS USA, INC. 2010-04-22 US disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 WO disclosed
WO-2010011964-A2 IMAGING AGENTS USEFUL FOR IDENTIFYING AD PATHOLOGY SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-01-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100098634-A1 Imaging Agents Useful for Identifying AD Pathology APP, APBA1, PYGB ALDH1A1 1389/4885RAB9A 3454/4885MAPT 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.